2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide

C8H17NO2S — CID 91529258

IUPAC2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCCC(C)(C)N1CCCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-4-8(2,3)9-6-5-7-12(9,10)11/h4-7H2,1-3H3
InChIKeyWMHMGIARMQOLAW-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.21
Rot. Bonds2

About 2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide

2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 91529258) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID91529258
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCCC(C)(C)N1CCCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-4-8(2,3)9-6-5-7-12(9,10)11/h4-7H2,1-3H3
InChIKeyWMHMGIARMQOLAW-UHFFFAOYSA-N
XLogP1.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isothiazolidine, 2-(3-pentyl)-, 1,1-dioxide
CID 52615
Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide
CID 52616
1-Butylsulfonylpyrrolidine
CID 303063
(3R,4S)-3-fluoro-4-methyl-1-propan-2-ylsulfonylpyrrolidine
CID 132267611
(3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine
CID 175876212
1-Pentylsulfonylpyrrolidine
CID 303120
2-Tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide
CID 155931790
3-Fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine
CID 131084617
(3S,4R)-3-fluoro-4-methyl-1-propan-2-ylsulfonylpyrrolidine
CID 148082809
Vkawolgyvphlki-uhfffaoysa-
CID 13302584
2-Isopropylisothiazolidine 1,1-dioxide
CID 10749528
2-(2-Methylpropyl)-1,2-thiazolidine 1,1-dioxide
CID 10773654

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide (CID 91529258) is 2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide is CCC(C)(C)N1CCCS1(=O)=O.
What is the InChIKey of 2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is WMHMGIARMQOLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-8(2,3)9-6-5-7-12(9,10)11/h4-7H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide?
2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 191.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 91529258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).